Chemical Properties of Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl ethyl ester

Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl ethyl ester

InChI
InChI=1S/C18H28O4/c1-6-9-15(5)16(13-12-14(3)4)22-18(20)11-8-10-17(19)21-7-2/h15-16H,3,6-11H2,1-2,4-5H3
InChI Key
APOAYNHPVDWQEL-UHFFFAOYSA-N
Formula
C18H28O4
SMILES
C=C(C)C#CC(OC(=O)CCCC(=O)OCC)C(C)CCC
Molecular Weight1
308.42
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfH°gas -647.81 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 44.60 kJ/mol Joback Calculated Property
ΔvapH° 88.76 kJ/mol Relay (1.0) Calculated Property
log10WS -3.67 Relay (1.0) Calculated Property
logPoct/wat 3.647 Crippen Calculated Property
McVol 266.460 ml/mol McGowan Calculated Property
Pc 1358.63 kPa Joback Calculated Property
Inp 1972.00 NIST
Tboil 572.50 K Relay (1.0) Calculated Property
Tc 757.05 K Relay (1.0) Calculated Property
Tfus 264.13 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [392.82; 875.36] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A4.88560e+01
Coefficient B1.44618e+00
Coefficient C-7.05660e-04
Coefficient D8.59800e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 392.82 J/mol×K 273.00 Calculated Property
Cp,gas 475.97 J/mol×K 353.78 Calculated Property
Cp,gas 551.10 J/mol×K 434.56 Calculated Property
Cp,gas 618.49 J/mol×K 515.33 Calculated Property
Cp,gas 678.40 J/mol×K 596.11 Calculated Property
Cp,gas 731.11 J/mol×K 676.89 Calculated Property
Cp,gas 776.88 J/mol×K 757.67 Calculated Property
Cp,gas 816.00 J/mol×K 838.44 Calculated Property
Cp,gas 848.74 J/mol×K 919.22 Calculated Property
Cp,gas 875.36 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl propyl ester. Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl isobutyl ester. Glutaric acid, butyl 2,6-dimethylnon-1-en-3-yn-5-yl ester. Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl isohexyl ester. Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl pentyl ester. Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl hexyl ester. Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl heptyl ester. Glutaric acid, decyl 2,6-dimethylnon-1-en-3-yn-5-yl ester. Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl octyl ester. Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl tetradecyl ester. Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl nonyl ester. Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl undecyl ester. Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl hexadecyl ester. Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl dodecyl ester. Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl tridecyl ester.

Find more compounds similar to Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl ethyl ester.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.